CID 134812115

(9e,15e)-heptadec-9,15-trien-11,13-diyn-4-one

Structural Information

Molecular Formula
C17H22O
SMILES
CCCC(=O)CCCC/C=C/C#CC#C/C=C/C
InChI
InChI=1S/C17H22O/c1-3-5-6-7-8-9-10-11-12-13-14-16-17(18)15-4-2/h3,5,10-11H,4,12-16H2,1-2H3/b5-3+,11-10+
InChIKey
IIFDEYOLAIRRBS-SALZOXGJSA-N
Compound name
(9E,15E)-heptadeca-9,15-dien-11,13-diyn-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.16707 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.174346 164.7
[M+Na]+ 265.156288 173.0
[M-H]- 241.159794 165.1
[M+NH4]+ 260.200893 176.6
[M+K]+ 281.130228 167.6
[M+H-H2O]+ 225.164330 151.0
[M+HCOO]- 287.165271 172.9
[M+CH3COO]- 301.180921 216.3
[M+Na-2H]- 263.141736 163.6
[M]+ 242.16652142 158.3
[M]- 242.16761858 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.